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118-69-4

118-69-4 structural image
Product Name: 2,6-Dichlorotoluene
Formula: C7H6Cl2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; mp = 2.8 deg C; [eChemPortal: SIDSUNEP] Colorless liquid; [MSDSonline]
Boiling Point 198 °C @ 760 mm Hg
Melting Point 25.8 °C
Flash Point 82 °C
Solubility Soluble in chloroform
Density 1268.6 kg/cu m @ 20 °C
Vapor Pressure 0.35 [mmHg]
LogP Log Kow = 4.29
Refractive Index Index of refraction: 1.5507 @ 20 °C/D
Kovats Retention Index 1104 1104 1132.2 1116
Other Experimental Properties The use of global and substituent physicochemical structure descriptors for quantitative structure-property relationship studies has been evaluated through direct and autocorrelated applications. Partial least squares analysis has been used to predict the partition coefficient for octanol/water, log P, for chlorinated alkylbenzenes. This investigation revealed that various of the physicochemical parameters considered were highly correlated with the partition coefficient and that partial least squares models based on global, direct or autocorrelated substituent parameters all seem to be adequate for prediction of log P, as compared to results obtained experimentally or by means of standard substituent calculation schemes. However, the use of autocorrelation vectors of connectivity, steric and electronic effects may be preferably due to a high degree of explanation of the molecular descriptor variance.
Chemical Classes Other Classes -> Halogenated Monoaromatics

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 161.03 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 159.9846556 g/mol
Monoisotopic Mass 159.9846556 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 82.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

RELATED SUPPLIERS

LANXESS India Pvt. Ltd.

1Y
product:118-69-4 / 29797-40-8 2,6-Dichlorotoluene 98%
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